5-nitro-2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzonitrile CAS Name: 5-nitro-2-[[4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 5-nitro-2-[(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)amino]benzonitrile Traditional Name: 5-nitro-2-[(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amino]benzonitrile Formula: C17H13N7O5 MolecularWeight: 395.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O5/c18-9-10-7-11(23(25)26)3-4-12(10)19-13-8-14(22-5-1-2-6-22)17(24(27)28)16-15(13)20-29-21-16/h3-4,7-8,19H,1-2,5-6H2